Structure of PDB 4hgn Chain B Binding Site BS01

Receptor Information
>4hgn Chain B (length=164) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STINYDLSRIKALAFDVDGVLSSTTVPLHPSGEPMRTVNIKDGYAIQLAV
KKGLHIAIITGGRTEAVRIRFAALGVKDLYMGSAVKIHDYRNFRDKYGLS
DDEILYMGDDVPDIEVMRECGLPCCPKDAVPEVKSVAKYISYADGGRGCG
RDVVEQVLKAHGKW
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4hgn Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hgn Structural Basis for the Divergence of Substrate Specificity and Biological Function within HAD Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D17 D19 D110
Binding residue
(residue number reindexed from 1)		D16 D18 D109
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.45: 3-deoxy-manno-octulosonate-8-phosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009103 lipopolysaccharide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4hgn, PDBe:4hgn, PDBj:4hgn
PDBsum4hgn
PubMed23848398
UniProtQ8A748

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